1NNI

Azobenzene Reductase from Bacillus subtilis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	150
Detector technology	CCD
Collection date	2002-08-31
Detector	SBC-2
Wavelength(s)	0.97940, 0.97926, 0.95372
Spacegroup name	P 62 2 2
Unit cell lengths	112.720, 112.720, 90.011
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.810 - 2.500
R-factor	0.223
Rwork	0.221
R-free	0.23800
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.600
Data reduction software	d*TREK
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	19743
Completeness [%]	89.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	trisodium citrate, sodium HEPES, sucrose, pH 7.5-8.5, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K